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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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6810 70142 1 SN2O2C7H10 AB2C2D7E10 -44.13 6.52 -9.23 -0.55 0
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6811 70145 1 C13H14 A13B14 15.26 1.55 -8.45 -0.13 0
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6812 70146 1 ClOH7C11 ABC7D11 -4.57 4.44 -9.5 -1.38 0
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6813 70149 1 O3C10H12 A3B10C12 -108.9 3.06 -8.62 0.15 0
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6814 70151 1 N2C11H22 A2B11C22 -21.18 1.7 -8.36 2.68 0
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6815 70153 1 SC12H20 AB12C20 -12.73 1.08 -8.97 0.09 0
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6816 70155 1 NO2H9C11 AB2C9D11 26.45 6.54 -9.42 -1.46 0
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6817 70156 1 NO4H7C9 AB4C7D9 -50.09 1.92 -10.81 -1.97 0
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6818 70157 2 BrNC6H7 ABC6D7 52.44 0.15 -8.65 -2.02 0
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6819 70158 2 NC6H7 AB6C7 69.81 1.48 -7.8 0.58 2
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6820 70160 1 NO3C11H11 AB3C11D11 -99.03 5.03 -10.28 -1.58 0
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6821 70162 3 C5H6 A5B6 7.09 0.89 -8.5 -0.16 0
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6822 70163 1 O3H10C12 A3B10C12 -86.18 3.09 -9.01 -1.05 0
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6823 70173 1 SN3H11C12 AB3C11D12 74.32 1.25 -8.71 -0.57 0
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6824 70176 1 N4O4H8C9 A4B4C8D9 60.17 8.15 -9.65 -1.94 0
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6825 70180 2 OC11H19 AB11C19 -144.88 0.21 -8.25 0.14 0
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6826 70203 1 OC5H8 AB5C8 -24.88 2.89 -10.09 -0.42 0
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6827 70204 1 OC5H8 AB5C8 -17.11 1.75 -10.41 0.77 0
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6828 70205 1 C3O3H4 A3B3C4 -102.92 2.76 -10.49 -0.79 0
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6829 70207 1 SO7C14H26 AB7C14D26 -340.25 2.83 -11.21 -0.56 0
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6830 70208 1 NO2C5H9 AB2C5D9 -84.79 2.78 -10.48 0.18 0
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6831 70209 1 OC9H18 AB9C18 -80.46 3.13 -9.79 0.78 0
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6832 70210 1 PO3C9H21 AB3C9D21 -205.49 2.12 -9.22 1.37 0
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6833 70211 1 O3C4H6 A3B4C6 -109.48 1.25 -10.37 -1.05 0
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6834 70216 1 SO4C8H14 AB4C8D14 -196.62 3.77 -9.13 -0.11 0
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6835 70217 1 O3C5H10 A3B5C10 -146.96 2.72 -10.56 0.58 0
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6836 70220 1 OC6H12 AB6C12 -51.18 2.66 -9.06 1.48 0
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6837 70222 1 NPO3S3C9H20 ABC3D3E9F20 -222.72 2.78 -9.1 -0.58 0
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6838 70223 1 NSC2O4H7 ABC2D4E7 -166.05 1.73 -9.72 -1.03 0
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6839 70224 1 NS2O3C6H15 AB2C3D6E15 -145.03 2.51 -9.14 -1.38 0
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6840 70226 1 SN2C4H10 AB2C4D10 3.14 2.37 -9.15 -0.15 0
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6841 70230 1 HKC4O4 ABC4D4 -151.38 7.69 -10.09 -0.48 0
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6842 70238 1 NS2O3C13H29 AB2C3D13E29 -173.92 3.56 -8.99 -1.44 0
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6843 70240 1 NS2O3C15H33 AB2C3D15E33 -184.22 2.69 -8.91 -1.52 0
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6844 70241 1 NS2O3C16H35 AB2C3D16E35 -183.29 5.02 -9.3 -1.02 0
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6845 70242 1 NS2O3C17H37 AB2C3D17E37 -192.73 0.58 -8.67 -0.07 0
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6846 70244 1 NS2O3C19H41 AB2C3D19E41 -204.37 4.38 -9.32 -1.36 0
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6847 70245 1 NS2O3C20H43 AB2C3D20E43 -205.17 2.28 -9.19 -1.37 0
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6848 70246 1 O3C8H14 A3B8C14 -149.93 6.87 -10.58 -0.36 0
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6849 70247 1 OC9H20 AB9C20 -82.59 1.92 -9.7 2.28 0
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6850 70252 1 ClC5H9 AB5C9 -31.99 2.55 -10.54 1.0 0
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6851 70255 2 NC2H3 AB2C3 41.95 2.93 -9.48 0.82 0
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6852 70257 7 CH2 AB2 -10.25 0.33 -10.58 2.75 0
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6853 70258 1 O2H4C5 A2B4C5 -49.12 1.25 -10.6 -1.4 0
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6854 70260 1 NC7H11 AB7C11 6.26 3.3 -8.09 1.58 0
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6855 70262 2 NC3H5 AB3C5 9.23 4.36 -8.84 0.94 0
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6856 70263 4 C2H3 A2B3 29.63 1.05 -10.42 1.89 0
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6857 70269 1 O2N3C4H5 A2B3C4D5 -59.16 2.15 -10.32 -0.96 0
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6858 70272 1 ClNC7H8 ABC7D8 12.1 3.78 -8.39 0.08 0
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6859 70277 2 NOC3H3 ABC3D3 -44.48 7.2 -9.92 -0.96 0
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6860 70278 2 OC4H5 AB4C5 -76.04 3.04 -8.73 0.09 0
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6861 70282 1 NO2C7H7 AB2C7D7 -59.85 6.32 -10.42 -1.11 0
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6862 70288 1 NH9C10 AB9C10 69.4 3.77 -9.85 -0.07 0
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6863 70298 1 OCl2H6C8 AB2C6D8 -29.3 2.29 -10.04 -1.19 0
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6864 70302 1 N2C9H16 A2B9C16 10.55 4.49 -8.89 1.32 0
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6865 70305 1 ClOSH7C8 ABCD7E8 -1.11 4.5 -9.3 -1.05 0
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6866 70308 1 OC11H14 AB11C14 -31.03 3.21 -9.78 -0.2 0
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6867 70311 2 OC5H6 AB5C6 -80.88 4.15 -8.98 -0.7 0
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6868 70312 1 O3C9H10 A3B9C10 -113.31 2.79 -8.82 -1.0 0
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6869 70313 1 ON3C8H9 AB3C8D9 30.54 2.9 -9.46 -0.73 0
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6870 70314 1 NCl2O2H5C7 AB2C2D5E7 -2.74 4.37 -10.39 -1.8 0
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6871 70319 2 NC5H6 AB5C6 37.96 2.87 -9.15 -0.18 0
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6872 70323 2 OC5H5 AB5C5 -47.03 4.78 -9.77 0.01 0
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6873 70337 1 OC12H16 AB12C16 -36.07 3.28 -9.98 -0.55 0
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6874 70340 1 NO2C10H13 AB2C10D13 -10.95 5.22 -9.8 -1.16 0
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6875 70353 2 NC6H8 AB6C8 34.58 2.91 -8.2 0.42 0
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6876 70371 2 NOC6H6 ABC6D6 -17.82 6.29 -9.01 -0.83 0
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6877 70374 2 ON2C5H7 AB2C5D7 -31.45 3.32 -9.07 -1.3 0
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6878 70375 1 NS2O3C10H21 AB2C3D10E21 -148.29 2.36 -9.19 -1.4 0
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6879 70376 1 NS2O3C10H15 AB2C3D10E15 -101.11 1.76 -9.19 -1.47 0
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6880 70377 1 PO2S2C11H17 AB2C2D11E17 -163.05 5.71 -9.02 -0.36 0
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6881 70379 1 O2H10C15 A2B10C15 -19.59 0.87 -9.85 -1.62 0
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6882 70383 1 NO2C14H21 AB2C14D21 -46.25 4.6 -8.96 -1.05 0
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6883 70387 1 OH12C16 AB12C16 39.07 0.21 -8.46 -0.63 0
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6884 70389 1 ClON3H10C12 ABC3D10E12 7.14 3.69 -8.94 -0.76 0
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6885 70390 1 ON2C14H14 AB2C14D14 66.23 4.88 -9.04 -0.68 0
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6886 70391 1 N2O2H10C15 A2B2C10D15 88.58 2.98 -9.16 -0.51 0
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6887 70392 1 NS2O3C11H17 AB2C3D11E17 -109.39 3.23 -9.24 -1.36 0
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6888 70393 2 OH7C8 AB7C8 -32.97 4.67 -9.56 -0.03 0
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6889 70398 1 NO2H13C15 AB2C13D15 -32.29 4.41 -8.78 -1.08 0
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6890 70400 1 BH15C18 AB15C18 64.39 0.04 -9.38 -0.88 0
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6891 70401 1 OH12C18 AB12C18 28.76 2.38 -8.3 -1.01 0
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6892 70402 1 NC18H31 AB18C31 -41.3 1.45 -7.91 0.76 0
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6893 70409 1 ON2H12C18 AB2C12D18 79.67 4.59 -9.09 -1.27 0
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6894 70411 1 N3C19H27 A3B19C27 27.03 3.22 -9.12 0.32 0
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6895 70412 1 N3C19H21 A3B19C21 78.36 3.6 -8.59 0.23 0
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6896 70415 1 N3C20H23 A3B20C23 66.03 3.91 -8.82 0.16 0
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6897 70416 1 N3C20H23 A3B20C23 63.75 3.61 -8.58 0.23 0
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6898 70419 1 ON3C20H23 AB3C20D23 16.48 3.74 -8.62 0.18 0
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6899 70420 1 O5H12C19 A5B12C19 -106.3 6.43 -8.64 -1.68 0
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6900 70425 1 PO4C22H23 AB4C22D23 -173.75 4.93 -9.23 -0.15 0
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6901 70428 1 O3C24H34 A3B24C34 -164.08 4.7 -9.4 0.4 0
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6902 70430 3 NPO2C6H14 ABC2D6E14 -501.81 1.29 -8.96 1.15 0
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6903 70433 1 SN3O4C39H59 AB3C4D39E59 -175.1 3.24 -8.62 -0.63 0
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6904 70435 1 SiC3H10 AB3C10 -39.14 0.5 -10.26 1.37 0
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6905 70438 1 ClGeC6H15 ABC6D15 -68.7 3.49 -9.86 0.04 0
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6906 70439 1 INC7H18 ABC7D18 -14.43 14.54 -7.08 -0.12 0
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6907 70445 1 ClSiC9H21 ABC9D21 -102.22 2.14 -9.71 0.38 0
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6908 70453 1 NSnSi2C9H27 ABC2D9E27 -93.77 0.61 -8.96 0.71 0
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6909 70454 1 NSiC7H19 ABC7D19 -64.12 1.01 -8.34 1.61 0